Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM421492'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM421492 (US10508086, Example 82 | US10995073, Example 82) Show SMILES Cc1nnc(s1)-n1c2cc(ccc2n(CC2CC2)c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C18H21N5O3S2/c1-11-19-20-16(27-11)23-15-9-13(28(25,26)21-18(2)7-8-18)5-6-14(15)22(17(23)24)10-12-3-4-12/h5-6,9,12,21H,3-4,7-8,10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...				US Patent US10995073 (2021) BindingDB Entry DOI: 10.7270/Q28K7D68
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM421492 (US10508086, Example 82 | US10995073, Example 82) Show SMILES Cc1nnc(s1)-n1c2cc(ccc2n(CC2CC2)c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C18H21N5O3S2/c1-11-19-20-16(27-11)23-15-9-13(28(25,26)21-18(2)7-8-18)5-6-14(15)22(17(23)24)10-12-3-4-12/h5-6,9,12,21H,3-4,7-8,10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...				US Patent US10508086 (2019) BindingDB Entry DOI: 10.7270/Q26112QF
					More data for this Ligand-Target Pair